General Information of the Compound
| Compound ID |
CP0435278
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| Compound Name |
CHEMBL3740669
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| Formula |
C25H35N5O3
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| Molecular Weight |
453.587
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| Canonical SMILES |
COC(=O)N1CCC(CN2C[C@H]3[C@H](CNC(=O)c4nc(C(C)C)n5ccccc45)[C@H]3C2)CC1
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| InChI |
InChI=1S/C25H35N5O3/c1-16(2)23-27-22(21-6-4-5-9-30(21)23)24(31)26-12-18-19-14-28(15-20(18)19)13-17-7-10-29(11-8-17)25(32)33-3/h4-6,9,16-20H,7-8,10-15H2,1-3H3,(H,26,31)/t18-,19-,20+
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| InChIKey |
BSCSBDJBDPHGLX-OWZKRDHZSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound